N-[4-[[[(1S,2R)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propoxy]-[3-(Dimethylamino)Propyl-(Ethylcarbamoyl)Amino]Phosphoryl]Methyl]Phenyl]-2,2,2-Trifluoro-Acetamide

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Formula C28H36Cl2F3N6O8P
IUPAC Name n-[4-[[[(1s,2r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-[3-(dimethylamino)propyl-(ethylcarbamoyl)amino]phosphoryl]methyl]phenyl]-2,2,2-trifluoro-acetamide
Molecular Mass 743.496 g·mol−1
Heat of Formation -1916.3 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 815.9 Å 3
Surface Area 613.77 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey HJUUGANDSYMIDV-CTQJRONWSA-N
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Elements C Cl H F O N P